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Home Nitriles Benzonitrile-2,3,4,5,6-d5

Benzonitrile-2,3,4,5,6-d5

CAS No.:
2102-15-0
Catalog Number:
AG002KMV
Molecular Formula:
C7D5N
Molecular Weight:
108.1521
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Product Description
Catalog Number:
AG002KMV
Chemical Name:
Benzonitrile-2,3,4,5,6-d5
CAS Number:
2102-15-0
Molecular Formula:
C7D5N
Molecular Weight:
108.1521
MDL Number:
MFCD00190382
IUPAC Name:
2,3,4,5,6-pentadeuteriobenzonitrile
InChI:
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D
InChI Key:
JFDZBHWFFUWGJE-RALIUCGRSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1C#N)[2H])[2H]
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.074g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5  
Molecular Weight:
108.155g/mol
Monoisotopic Mass:
108.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Elementary reactions and their role in gas-phase prebiotic chemistry. International journal of molecular sciences 20090501
Properties